SCHEMBL3133058

SCHEMBL3133058

CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.35
MYT1 Q01538 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
NOTUM Q6P988 1/20 0.32
BUB1 O43683 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3132676 0.81 DPP4 (0.35) MYT1NOTUMDPP4DPP8DPP7
SCHEMBL5229227 0.80 HDAC4 (0.32) HDAC4MYT1MAPTKDM4ETHRB
SCHEMBL5229218 0.80 HDAC4 (0.32) HDAC4MYT1MAPTKDM4ETHRB
SCHEMBL3133282 0.75 DPP4 (0.46) HDAC4MYT1MAPTGPR119NOTUM
SCHEMBL3137229 0.73 P2RX7 (0.36) HDAC4SCN5ASCN9AMAPTGPR119
SCHEMBL5228855 0.71 DPP4 (0.49) DPP4DPP8DPP7ALDH1A1
SCHEMBL3134173 0.71 MAPT (0.37) HDAC4SCN5ASCN9AMAPTPIM1
SCHEMBL798568 0.69 TP53 (0.41) MAPTKDM4ETHRBGPR119KDM1A
SCHEMBL26988329 0.68 SCN5A (0.37) SCN5ASCN9AMAPTKDM4ETHRB
SCHEMBL5228676 0.68 DPP4 (0.41) DPP4DPP8DPP7ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 HDAC4 84/4885MYT1 4678/4885SCN5A 1626/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.